4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride

C9H11ClFNO2 — CID 165391266

IUPAC4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride
SMILESCOc1cc2c(c(F)c1O)CNC2.Cl
InChIInChI=1S/C9H10FNO2.ClH/c1-13-7-2-5-3-11-4-6(5)8(10)9(7)12;/h2,11-12H,3-4H2,1H3;1H
InChIKeyYSLOPDYCIFIBEJ-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.56
Rot. Bonds1

About 4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride

4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride (PubChem CID 165391266) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride
PubChem CID165391266
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride
SMILESCOc1cc2c(c(F)c1O)CNC2.Cl
InChIInChI=1S/C9H10FNO2.ClH/c1-13-7-2-5-3-11-4-6(5)8(10)9(7)12;/h2,11-12H,3-4H2,1H3;1H
InChIKeyYSLOPDYCIFIBEJ-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-fluoro-6-methoxy-2,3-dihydro-1H-isoindole
CID 175497049
6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole
CID 130064518
4-chloro-5-[3-[(4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-yl)oxy]propoxy]-6-methoxy-2,3-dihydro-1H-isoindole
CID 167240823
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol;dihydrate;hydrochloride
CID 76965643
8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84657900
6-methoxy-8-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 153406501
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol
CID 135381377
5-methoxy-6-nitro-2,3-dihydro-1H-isoindole;hydrochloride
CID 177238657
4,6-difluoro-2,3-dihydro-1H-isoindole
CID 117275596
4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117366622
4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol
CID 171259704

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride?
The IUPAC name of 4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride (CID 165391266) is 4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride.
What is the SMILES notation for 4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride?
The canonical SMILES for 4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride is COc1cc2c(c(F)c1O)CNC2.Cl.
What is the InChIKey of 4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride?
The InChIKey is YSLOPDYCIFIBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2.ClH/c1-13-7-2-5-3-11-4-6(5)8(10)9(7)12;/h2,11-12H,3-4H2,1H3;1H.
What are the key properties of 4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride?
4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride has a molecular weight of 219.64 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2,3-dihydro-1H-isoindol-5-ol;hydrochloride is sourced from PubChem (CID 165391266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).